4-Methylumbelliferyl α-D-mannopyranoside

C₁₆H₁₈O₈CAS 28541-83-5338.31 g/mol

Open in Covalent MOL file

Acetal Alcohol Ether

Properties

Molecular formula: C₁₆H₁₈O₈
Molar mass: 338.31 g/mol
Exact mass: 338.1002 Da
logP: -0.72Crippen estimate
Polar surface area: 129.6 Å²
H-bond donors / acceptors: 4 / 8
Rotatable bonds: 3
Stereocentres: R, R, S, S, Sin SMILES atom order

Identifiers

CAS number

28541-83-5

SMILES

Cc1cc(=O)oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)ccc12

InChIKey

YUDPTGPSBJVHCN-VMMWWAARSA-N

InChI

InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15+,16+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

2H-1-Benzopyran-2-one, 7-(α-D-mannopyranosyloxy)-4-methyl-
Mannopyranoside, 4-methyl-2-oxo-2H-1-benzopyran-7-yl, α-D-
7-(α-D-Mannopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
4-Methylumbelliferyl α-D-mannoside
4′-Methylumbelliferyl α-D-mannopyranoside
4-Methylumbelliferyl α-mannopyranoside

Work with 4-Methylumbelliferyl α-D-mannopyranoside

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Methylumbelliferyl β-cellobioside72626-61-089 % similar 4-Methylumbelliferyl N-acetyl-β-D-galactosaminide36476-29-673 % similar 4-Methylumbelliferyl 2-acetamido-2-deoxy-β-D-glucopyranoside37067-30-473 % similar 4-Methylumbelliferyl α-L-fucopyranoside54322-38-273 % similar Skimmin93-39-069 % similar 4-Methylumbelliferyl β-D-glucuronide6160-80-168 % similar 4-Methylumbelliferyl β-D-xyloside6734-33-466 % similar 4-Methylumbelliferyl α-L-arabinopyranoside69414-26-266 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methylumbelliferyl α-D-glucopyranoside17833-43-1 4-Methylumbelliferyl β-D-glucopyranoside18997-57-4 4-Methylumbelliferyl α-D-galactopyranoside38597-12-5 4-Methylumbelliferyl β-D-galactopyranoside6160-78-7

Elsewhere

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